>compound Thiamine monophosphate_Thiamine monophosphate
#instrument UPLC Q-Tof Premier, Waters
>formula C12H18N4O4PS
#smiles Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(O)=O)s1
#RECORD LC-ESI-QTOF_train_data/PR100204.txt;LC-ESI-QTOF_train_data/PR100609.txt
>charge 1
>ionization [M]+
>parentmass 345.07861

>collision 5-60
81.0459 408.7
122.0721 2612.0
126.0392 541.0
224.0169 312.1
345.0786 396.9

>collision 5-60
78.9612 45.06
96.9714 139.6
124.0252 12.47
147.069 20.67
222.0038 35.07
245.091 40.8
343.063 4.315

